SCHEMBL5014387

SCHEMBL5014387

O=C(c1cccc(-c2ccc(Br)s2)n1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
HTR2C P28335 8/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5014405 0.88 GNE (0.55) HTR2CRAB9ANPC1ALDH1A1MEN1
SCHEMBL5014381 0.81 SMN1; SMN2 (0.64) ERN1HTR2CRAB9ANPC1ALDH1A1
SCHEMBL1554586 0.78 RAB9A (0.50) ERN1HTR2CRAB9ANPC1ALDH1A1
SCHEMBL30911663 0.78 RAB9A (0.50) ERN1HTR2CRAB9ANPC1ALDH1A1
SCHEMBL30911660 0.78 RAB9A (0.50) ERN1HTR2CRAB9ANPC1ALDH1A1
SCHEMBL3239132 0.76 HTR2C (0.54) HTR2CRAB9ANPC1ALDH1A1PKM
SCHEMBL4122541 0.76 RAB9A (0.52) ERN1HTR2CRAB9ANPC1ALDH1A1
SCHEMBL30149935 0.76 RAB9A (0.52) ERN1HTR2CRAB9ANPC1ALDH1A1
SCHEMBL5014378 0.75 KMT2A (0.46) PKMKDM4EMEN1POLBKMT2A
SCHEMBL7126957 0.74 HTR2C (0.44) ERN1HTR2CRAB9ANPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
CN-101124232-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831231-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 ERN1 3517/4885HTR2C 176/4885RAB9A 1451/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.